5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid

C23H36N2O4 — CID 19697639

IUPAC5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid
SMILESCC(C)C(CC(O)C(N)CC(C)(C)CC(=O)N1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C23H36N2O4/c1-15(2)17(22(28)29)12-20(26)18(24)13-23(3,4)14-21(27)25-11-7-9-16-8-5-6-10-19(16)25/h5-6,8,10,15,17-18,20,26H,7,9,11-14,24H2,1-4H3,(H,28,29)
InChIKeyVZBSNUMGSIQNSV-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.21
Rot. Bonds9

About 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid

5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid (PubChem CID 19697639) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid.

Molecular Properties

Compound Name5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid
PubChem CID19697639
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Name5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid
SMILESCC(C)C(CC(O)C(N)CC(C)(C)CC(=O)N1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C23H36N2O4/c1-15(2)17(22(28)29)12-20(26)18(24)13-23(3,4)14-21(27)25-11-7-9-16-8-5-6-10-19(16)25/h5-6,8,10,15,17-18,20,26H,7,9,11-14,24H2,1-4H3,(H,28,29)
InChIKeyVZBSNUMGSIQNSV-UHFFFAOYSA-N
XLogP3.21
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid?
The IUPAC name of 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid (CID 19697639) is 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid.
What is the SMILES notation for 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid?
The canonical SMILES for 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid is CC(C)C(CC(O)C(N)CC(C)(C)CC(=O)N1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid?
The InChIKey is VZBSNUMGSIQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-15(2)17(22(28)29)12-20(26)18(24)13-23(3,4)14-21(27)25-11-7-9-16-8-5-6-10-19(16)25/h5-6,8,10,15,17-18,20,26H,7,9,11-14,24H2,1-4H3,(H,28,29).
What are the key properties of 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid?
5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid has a molecular weight of 404.55 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9-(3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-7,7-dimethyl-9-oxo-2-propan-2-ylnonanoic acid is sourced from PubChem (CID 19697639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).